Vitas-M small molecule compound
(4E)-4-{4-[(2-chlorobenzyl)oxy]-3-ethoxybenzylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK098340
SMILES CCOc1cc(ccc1OCc1ccccc1Cl)/C=C/1\C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C26H22ClN3O5 MW 491.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN3O5/c1-3-34-25-15-18(8-13-24(25)35-16-19-6-4-5-7-23(19)27)14-22-17(2)28-29(26(22)31)20-9-11-21(12-10-20)30(32)33/h4-15H,3,16H2,1-2H3/b22-14+InChIKey
WMZSPLNOLPSQOX-HYARGMPZSA-NSynonyms
(4E)4((4((2CHLOROPHENYL)METHOXY)3ETHOXYPHENYL)METHYLIDENE)5METHYL2(4NITROPHENYL)PYRAZOL3ONE
(4E)4(4((2CHLOROBENZYL)OXY)3ETHOXYBENZYLIDENE)5METHYL2(4NITROPHENYL)24DIHYDRO3HPYRAZOL3ONE
CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)(N+)(=O)(O))C)OCC4=CC=CC=C4Cl
CCOc1cc(ccc1OCc1ccccc1Cl)C=C1C(=NN(C1=O)c1ccc(cc1)(N+)(=O)(O))C
InChI=1SC26H22ClN3O5c1334251518(81324(25)351619645723(19)27)142217(2)2829(26(22)31)2091121(121020)30(32)33h415H316H212H3b2214+
MFCD01799749
STK098340
ZINC000013895945
ZINC13895945
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